LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# 2d circle of particles inside a box with LJ walls

variable        b index 0

variable	x index 50
variable	y index 20
variable	d index 20
variable	v index 5
variable	w index 2

units		lj
dimension       2
atom_style	atomic
boundary        f f p

lattice		hex 0.85
Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
region		box block 0 $x 0 $y -0.5 0.5
region		box block 0 50 0 $y -0.5 0.5
region		box block 0 50 0 20 -0.5 0.5
create_box	1 box
Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
  2 by 2 by 1 MPI processor grid
region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
region		circle sphere 11 6.7735026918962581988 0.0 10
create_atoms	1 region circle
Created 361 atoms
  Time spent = 0.000404358 secs
mass		1 1.0

velocity	all create 0.5 87287 loop geom
velocity        all set $v $w 0 sum yes
velocity        all set 5 $w 0 sum yes
velocity        all set 5 2 0 sum yes

pair_style	lj/cut 2.5
pair_coeff	1 1 10.0 1.0 2.5

neighbor	0.3 bin
neigh_modify	delay 0 every 1 check yes

fix		1 all nve

fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5

comm_style      tiled
fix             10 all balance 50 0.9 rcb

#compute         1 all property/atom proc
#variable        p atom c_1%10
#dump            2 all custom 50 tmp.dump id v_p x y z

#dump            3 all image 50 image.*.jpg v_p type #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}

thermo_style    custom step temp epair press f_10[3] f_10
thermo          100

run		10000
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2.8
  ghost atom cutoff = 2.8
  binsize = 1.4, bins = 42 29 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/2d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.041 | 3.047 | 3.059 Mbytes
Step Temp E_pair Press f_10[3] f_10 
       0    25.701528   -29.143179   -1.2407285    3.2354571    1.0526316 
     100    26.269576   -29.713313    7.9052334    1.2742382    1.0304709 
     200    26.368336   -29.809962    1.6412462    1.2520776    1.0083102 
     300    26.479082   -29.920083    2.3678653    1.2299169    1.0193906 
     400    26.522239   -29.965537    6.6787858    1.1855956    1.0083102 
     500    25.725591   -29.168034   0.67065285    1.2520776    1.0193906 
     600    26.247693   -29.692706    7.9887712    1.3074792    1.0193906 
     700    26.237368   -29.676926    1.5987214    1.2409972    1.0083102 
     800    25.889643   -29.431589    4.6160859    1.2631579    1.0083102 
     900    23.635295   -27.372963     9.029962    1.1634349    1.0083102 
    1000    22.571904    -25.87422    1.8936085    1.1301939    1.0193906 
    1100    17.493795   -21.447274     9.502619    1.0858726    1.0193906 
    1200    17.214459   -20.726965    6.3578918    1.0304709    1.0083102 
    1300     16.42412   -19.757358    3.9027527    1.1191136    1.0193906 
    1400    15.030721   -18.114099    1.7564242    1.1523546    1.0193906 
    1500     13.81681   -16.902783    1.1577715    1.0858726    1.0083102 
    1600    13.686443   -16.661545    1.5415714    1.0969529    1.0083102 
    1700    13.019794   -16.066239    2.0360985    1.0526316    1.0083102 
    1800    12.297559     -15.3505    2.3411708    1.0858726    1.0083102 
    1900    12.279142   -15.287559    1.6641576    1.0415512    1.0083102 
    2000    12.230052   -15.192836    1.0975388    1.0415512    1.0193906 
    2100    11.697549   -14.599737    1.6237216    1.0969529    1.0083102 
    2200    11.682062   -14.610972    1.4641234    1.0747922    1.0083102 
    2300    11.075799   -13.986408    1.3034228    1.0637119    1.0083102 
    2400    11.362073   -14.290331    1.4934327    1.0304709    1.0083102 
    2500    11.100258   -14.006922    1.5476543    1.0415512    1.0193906 
    2600     11.12995   -14.013738     1.648208    1.0526316    1.0193906 
    2700    10.709161   -13.560172     1.396234    1.0193906    1.0083102 
    2800    10.827433   -13.654426    1.0691842    1.0304709    1.0083102 
    2900    10.653946   -13.622298    1.0985321    1.0304709    1.0083102 
    3000    10.277755   -13.110194   0.80184675    1.0304709    1.0083102 
    3100    9.9099809   -12.702359    1.0351594    1.0304709    1.0193906 
    3200    9.7539825   -12.558768   0.54465848    1.0526316    1.0083102 
    3300    10.126666   -12.949441   0.64914734    1.0304709    1.0083102 
    3400    9.5324496   -12.338741    1.2896056    1.0193906    1.0193906 
    3500    9.4041639   -12.170248   0.72157285    1.0304709    1.0083102 
    3600    9.2601291   -12.094438    1.1638062    1.0415512    1.0193906 
    3700    9.7052324   -12.503428    1.0681965    1.0193906    1.0193906 
    3800    9.1757619    -11.95576    1.2517655    1.0637119    1.0083102 
    3900    9.2622488   -12.036744   0.49874718    1.0193906    1.0083102 
    4000    8.8510215   -11.634558    1.0887428    1.0415512    1.0193906 
    4100    8.3821331   -11.145234   0.91008971    1.0193906    1.0083102 
    4200    8.2295054   -10.970304    0.5181043    1.0304709    1.0083102 
    4300    8.2161013   -10.942353   0.42128421    1.0304709    1.0193906 
    4400    7.7366945     -10.4592   0.79646198    1.0304709    1.0193906 
    4500    7.6089407   -10.446852    1.0059975    1.0083102    1.0193906 
    4600    7.6662499   -10.406613    1.7369986    1.0193906    1.0083102 
    4700    7.9515739   -10.665324   0.73173058    1.0193906    1.0083102 
    4800    7.7580664   -10.520311    1.1065958    1.0304709    1.0083102 
    4900     7.561205   -10.291568   0.97923495    1.0083102    1.0193906 
    5000    7.4169102   -10.130439    1.1566293    1.0193906    1.0193906 
    5100    7.5994418   -10.310725    1.1081236    1.0193906    1.0193906 
    5200    7.4637026   -10.211945   0.46308591    1.0193906    1.0083102 
    5300    7.5864081   -10.289039   0.55146387    1.0415512    1.0083102 
    5400    7.2190688   -9.8943729   0.56255805    1.0193906    1.0193906 
    5500    7.3953465   -10.112294   0.49166363    1.0193906    1.0193906 
    5600    7.3584536   -10.027488   0.69227871    1.0193906    1.0193906 
    5700     6.932639   -9.6121874   0.67344283    1.0304709    1.0083102 
    5800     7.088604   -9.7715725   0.20307999    1.0193906    1.0193906 
    5900    6.9761247   -9.6446998   0.90406994    1.0083102    1.0083102 
    6000    6.8763621   -9.5236579   0.57873884    1.0415512    1.0083102 
    6100     6.939987   -9.5929188   0.36904108    1.0304709    1.0083102 
    6200     6.820038   -9.4635599   0.63193653    1.0304709    1.0083102 
    6300    6.8288347   -9.4833639   0.41971515    1.0415512    1.0304709 
    6400    6.8690672   -9.5446244    1.0201589    1.0415512    1.0193906 
    6500    6.4727631   -9.1148404   0.80775699    1.0193906    1.0193906 
    6600    6.7113328   -9.3554765   0.61684835    1.0083102    1.0083102 
    6700    6.5896516   -9.2696941   0.58593745    1.0526316    1.0193906 
    6800    6.5609717   -9.2314045    1.2897992    1.0193906    1.0083102 
    6900    6.6225137   -9.2809347   0.47677707    1.0415512    1.0083102 
    7000    6.6617661   -9.3147214   0.72415312    1.0304709    1.0193906 
    7100    6.5773856   -9.2843036    0.7800794    1.0304709    1.0083102 
    7200    6.7300254   -9.4233488   0.73403634    1.0193906    1.0193906 
    7300    6.8497011   -9.4992354   0.97755826    1.0304709    1.0193906 
    7400    6.5848304   -9.2649536   0.89449647    1.0526316    1.0193906 
    7500    6.6468599   -9.3004561   0.53259674    1.0304709    1.0083102 
    7600    6.7096387   -9.3824628   0.40095675    1.0193906    1.0083102 
    7700    6.6205931   -9.2612947   0.44113095    1.0083102    1.0083102 
    7800     6.444935    -9.073124   0.47355329    1.0193906    1.0083102 
    7900    6.6143353   -9.2763501   0.57936627    1.0193906    1.0083102 
    8000    6.5718284   -9.2099799   0.88048189    1.0637119    1.0083102 
    8100    6.9155381   -9.5644544   0.36029314    1.0415512    1.0083102 
    8200    6.4217261   -9.0582117    0.4577164    1.0193906    1.0193906 
    8300    6.4639521   -9.0911283   0.50560328    1.0193906    1.0193906 
    8400    6.2047897   -8.8357836   0.71150301    1.0083102    1.0083102 
    8500    6.5688691   -9.2701491    0.5963871    1.0193906    1.0083102 
    8600    6.6803448   -9.3311473   0.47008064    1.0304709    1.0083102 
    8700    6.4794219   -9.1136868   0.97764575    1.0193906    1.0193906 
    8800    6.3899651   -9.0655629   0.72557611    1.0083102    1.0193906 
    8900    6.4446062   -9.1121453   0.53050589    1.0193906    1.0083102 
    9000    6.7012614   -9.3365992   0.63041848    1.0415512    1.0083102 
    9100    6.3982388   -9.0510004   0.34575359    1.0415512    1.0083102 
    9200    6.9775773   -9.6647109   0.97993232    1.0304709    1.0193906 
    9300    6.5504231   -9.2113542   0.58697844    1.0193906    1.0193906 
    9400    6.6900283   -9.3954145   0.40867465    1.0083102    1.0193906 
    9500    6.3553229   -8.9965934   0.60133843    1.0526316    1.0193906 
    9600    6.4861076   -9.1404384    1.0033387    1.0193906    1.0193906 
    9700     6.469481   -9.1202491   0.85523385    1.0083102    1.0193906 
    9800    6.5508552    -9.188341    0.6068644    1.0304709    1.0083102 
    9900    6.4355199   -9.1044882   0.83288252    1.0304709    1.0193906 
   10000    6.4850092   -9.1433721   0.58691238    1.0193906    1.0193906 
Loop time of 0.418243 on 4 procs for 10000 steps with 361 atoms

Performance: 10328920.895 tau/day, 23909.539 timesteps/s
87.1% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.062269   | 0.073833   | 0.096031   |   4.9 | 17.65
Neigh   | 0.066658   | 0.072882   | 0.084956   |   2.7 | 17.43
Comm    | 0.10814    | 0.13013    | 0.14677    |   4.4 | 31.11
Output  | 0.0015733  | 0.0017747  | 0.0023153  |   0.7 |  0.42
Modify  | 0.060045   | 0.060904   | 0.061674   |   0.3 | 14.56
Other   |            | 0.07872    |            |       | 18.82

Nlocal:    90.25 ave 92 max 89 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Nghost:    33.25 ave 57 max 13 min
Histogram: 1 0 0 0 2 0 0 0 0 1
Neighs:    309.25 ave 496 max 125 min
Histogram: 1 0 0 1 0 0 1 0 0 1

Total # of neighbors = 1237
Ave neighs/atom = 3.42659
Neighbor list builds = 3620
Dangerous builds = 0
Total wall time: 0:00:00
